4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole

C8H8N2S4 — CID 4067549

IUPAC4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole
SMILESCc1csc(SSc2nc(C)cs2)n1
InChIInChI=1S/C8H8N2S4/c1-5-3-11-7(9-5)13-14-8-10-6(2)4-12-8/h3-4H,1-2H3
InChIKeyPYPYUFUIUSJRSS-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.02
Rot. Bonds3

About 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole

4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole (PubChem CID 4067549) has the molecular formula C8H8N2S4 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole
PubChem CID4067549
Molecular FormulaC8H8N2S4
Molecular Weight260.43 g/mol
Exact Mass259.96
IUPAC Name4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole
SMILESCc1csc(SSc2nc(C)cs2)n1
InChIInChI=1S/C8H8N2S4/c1-5-3-11-7(9-5)13-14-8-10-6(2)4-12-8/h3-4H,1-2H3
InChIKeyPYPYUFUIUSJRSS-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole (CID 4067549) is 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole is Cc1csc(SSc2nc(C)cs2)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole?
The InChIKey is PYPYUFUIUSJRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S4/c1-5-3-11-7(9-5)13-14-8-10-6(2)4-12-8/h3-4H,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole?
4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole has a molecular weight of 260.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)disulfanyl]-1,3-thiazole is sourced from PubChem (CID 4067549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).